46449 <common-name>8-isopropyl-8-azabicyclo[3.2.1]octan-3-one</common-name> <description nil="true"/> <cas>3423-28-7</cas> <pubchem-id>103009</pubchem-id> <chemical-formula>C10H17NO</chemical-formula> <weight>167.25</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T13:08:15Z</created-at> <updated-at type="dateTime">2026-08-18T02:13:15Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)N1C2CCC1CC(=O)C2</moldb-smiles> <moldb-formula>C10H17NO</moldb-formula> <moldb-inchi>InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3</moldb-inchi> <moldb-inchikey>AKETXTOLBLTPTP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">167.252</moldb-average-mass> <moldb-mono-mass type="decimal">167.131014171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>93061</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM045344</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007989</stoff-ident-id> <susdat-id>NS00002868</susdat-id> <iupac>8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one</iupac> <moldb-polar-surface-area>20.310000000000002</moldb-polar-surface-area> <moldb-refractivity>48.5123</moldb-refractivity> <moldb-polarizability>19.177748177400247</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>18.075552815022895</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.440943566126196</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.61</moldb-alogps-logp> <moldb-alogps-logs>-0.07</moldb-alogps-logs> <moldb-alogps-solubility>1.41e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Alkaloids and derivatives</superklass> <klass>Tropane alkaloids</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0124985</sync-id> <structure-inchikey>AKETXTOLBLTPTP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000020000000000000000000000040000000000000000410000000000001000000020000020000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000100000000000000000000000020100000000000000000000100000000040000080000000000000000000000000000000000000000000000000000000000004000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000200000000000000000800000000000000000020000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`������� ������`�������`�������`�������`�������`�������(�������(�������`������������������������������� � �� ��������B������������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:31Z</structure-indexed-at> </compound>